methyl 4-[3-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(dimethylaminomethyleneamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(dimethylaminomethylideneamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(dimethylaminomethyleneamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)N=CN(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)N=CN(C)C

InChI

InChI=1S/C20H22N4O2S/c1-13-10-17(18-11-27-20(22-18)21-12-23(3)4)14(2)24(13)16-8-6-15(7-9-16)19(25)26-5/h6-12H,1-5H3